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3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl]-, bis(1,1-dimethylethyl) ester

View entire compound with spectra: 1 NMR

3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl]-, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID LZkmOvYHU28
InChI InChI=1S/C37H46N4O6S/c1-24-30(34(42)46-36(3,4)5)32(31(25(2)38-24)35(43)47-37(6,7)8)29-23-41(27-15-11-9-12-16-27)39-33(29)26-17-19-28(20-18-26)48(44,45)40-21-13-10-14-22-40/h9,11-12,15-20,23,32,38H,10,13-14,21-22H2,1-8H3
InChIKey JRBYVEAKNMSGHU-UHFFFAOYSA-N
Mol Weight 674.9 g/mol
Molecular Formula C37H46N4O6S
Exact Mass 674.313806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KrEUM4nPzQ6
Name 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl]-, bis(1,1-dimethylethyl) ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C37H46N4O6S/c1-24-30(34(42)46-36(3,4)5)32(31(25(2)38-24)35(43)47-37(6,7)8)29-23-41(27-15-11-9-12-16-27)39-33(29)26-17-19-28(20-18-26)48(44,45)40-21-13-10-14-22-40/h9,11-12,15-20,23,32,38H,10,13-14,21-22H2,1-8H3
InChIKey JRBYVEAKNMSGHU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1761
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11268122